methyl 7-[2-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]ethanoylamino]heptanoate

Systemtic Name: methyl 7-[2-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]ethanoylamino]heptanoate Openeye Name: methyl 7-[[2-[3-(m-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]acetyl]amino]heptanoate CAS Name: 7-[[2-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-1-oxoethyl]amino]heptanoic acid methyl ester IUPAC Name: methyl 7-[[2-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]acetyl]amino]heptanoate Traditional Name: 7-[[2-[3-(m-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]acetyl]amino]enanthic acid methyl ester Formula: C19H26N4O3S MolecularWeight: 390.49974

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NNC(=S)N2CC(=O)NCCCCCCC(=O)OC

Isomeric SMILES

CC1=CC=CC(=C1)C2=NNC(=S)N2CC(=O)NCCCCCCC(=O)OC

InChI

InChI=1S/C19H26N4O3S/c1-14-8-7-9-15(12-14)18-21-22-19(27)23(18)13-16(24)20-11-6-4-3-5-10-17(25)26-2/h7-9,12H,3-6,10-11,13H2,1-2H3,(H,20,24)(H,22,27)